Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | XBP1 | P17861 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | P4HB | P07237 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 4/20 | 0.38 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL61602 | 1.00 | ALDH1A1 (0.46) | ALDH1A1HTTXBP1MEN1KMT2A | |
| SCHEMBL61680 | 0.87 | HTT (0.42) | ALDH1A1HTTXBP1MEN1KMT2A | |
| SCHEMBL61681 | 0.87 | HTT (0.42) | ALDH1A1HTTXBP1MEN1KMT2A | |
| SCHEMBL61147 | 0.83 | ALDH1A1 (0.41) | ALDH1A1HTTXBP1MEN1KMT2A | |
| SCHEMBL61148 | 0.83 | ALDH1A1 (0.41) | ALDH1A1HTTXBP1MEN1KMT2A | |
| SCHEMBL1327793 | 0.77 | ALDH1A1 (0.40) | ALDH1A1HTTXBP1MEN1KMT2A | |
| SCHEMBL1327790 | 0.77 | ALDH1A1 (0.40) | ALDH1A1HTTXBP1MEN1KMT2A | |
| SCHEMBL64660 | 0.76 | ALDH1A1 (0.42) | ALDH1A1HTTXBP1MEN1KMT2A | |
| SCHEMBL1327803 | 0.76 | C5AR1 (0.46) | ALDH1A1HTTXBP1MEN1KMT2A | |
| SCHEMBL12750351 | 0.75 | MEN1 (0.42) | ALDH1A1HTTXBP1MEN1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8129395-B2 | 4,5-disubstituted-2-aryl pyrimidines | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2012-03-06 | — | — | US | disclosed |
| US-20100022516-A1 | 4,5-Disubstituted-2-aryl pyrimidines | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2010-01-28 | — | — | US | disclosed |
| US-7482350-B2 | 4,5-disubstituted-2-aryl pyrimidines | NEUROGEN CORPORATION (US) | 2009-01-27 | — | — | US | disclosed |
| US-20050277654-A1 | 4,5-Disubstituted-2-aryl pyrimidines | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2005-12-15 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050277654-A1 | 4,5-Disubstituted-2-aryl pyrimidines | C5AR2, C3AR1, C5AR1 | ALDH1A1 1616/4885HTT 4546/4885XBP1 2768/4885 |
| US-20100022516-A1 | 4,5-Disubstituted-2-aryl pyrimidines | C5AR2, C5AR1, C3AR1 | ALDH1A1 1684/4885HTT 4501/4885XBP1 2718/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.